3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide

C8H9NO4 — CID 130423211

IUPAC3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1oc(C)cc(=O)c1O
InChIInChI=1S/C8H9NO4/c1-4-3-5(10)6(11)7(13-4)8(12)9-2/h3,11H,1-2H3,(H,9,12)
InChIKeyPPFCPMWKLIDCFE-UHFFFAOYSA-N
MW183.16 g/mol
LogP0.01
Rot. Bonds1

About 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide

3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide (PubChem CID 130423211) has the molecular formula C8H9NO4 and a molecular weight of 183.16 g/mol. Its IUPAC name is 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide
PubChem CID130423211
Molecular FormulaC8H9NO4
Molecular Weight183.16 g/mol
Exact Mass183.05
IUPAC Name3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide
SMILESCNC(=O)c1oc(C)cc(=O)c1O
InChIInChI=1S/C8H9NO4/c1-4-3-5(10)6(11)7(13-4)8(12)9-2/h3,11H,1-2H3,(H,9,12)
InChIKeyPPFCPMWKLIDCFE-UHFFFAOYSA-N
XLogP0.01
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.16
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide?
The IUPAC name of 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide (CID 130423211) is 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide is CNC(=O)c1oc(C)cc(=O)c1O.
What is the InChIKey of 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide?
The InChIKey is PPFCPMWKLIDCFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO4/c1-4-3-5(10)6(11)7(13-4)8(12)9-2/h3,11H,1-2H3,(H,9,12).
What are the key properties of 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide?
3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide has a molecular weight of 183.16 g/mol, XLogP of 0.01, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 130423211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).